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3,4,6-Trichlorocatechol

CAT: 0931-T40397Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T40397Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32139-72-3
Target
Others, DNA/RNA Synthesis
Related Pathways
Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Bioactivity
3,4,6-Trichlorocatechol (TCC) is a metabolite generated by the post-mitochondrial liver fraction in Aroclor-1254 induced rats, resulting from exposure to industrial pollutants.
Smiles
Oc1c(O)c(Cl)c(Cl)cc1Cl
Molecular Formula
C6H3Cl3O2
Molecular Weight
213.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,4,6-Trichlorocatechol

3,4,6-trichlorocatechol is a trichlorocatechol. It is a conjugate acid of a 3,4,6-trichlorocatechol(1-).

CAS Number32139-72-3
PubChem CID32817
IUPAC Name3,4,6-trichlorobenzene-1,2-diol
Molecular FormulaC6H3Cl3O2
Molecular Weight213.4
XLogP3.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity144
SMILES
C1=C(C(=C(C(=C1Cl)Cl)O)O)Cl
InChI
InChI=1S/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H
InChIKey
LZHZRJKVYOHNTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,6-Trichlorocatechol
CAS: 32139-72-3
CID: 32817
Formula: C6H3Cl3O2
MW: 213.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass211.919862
Monoisotopic Mass211.919862
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity144
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-C030519-013,4,6-Trichlorocatechol
RM-C030503-013,4,5-Trichlorocatechol
sc-2992494- (3,3,4,4,5,5,6,6,6-Nonafluorohexylthio) phenol
IBA09117-012,2',3,3',4,4',6,6'-Octachlorobiphenyl
sc-2263674- (3,3,4,4,5,5,6,6,6-Nonafluorohexyl) benzyl alcohol
GTR19164931-014,6,3',4'-Tetrahydroxyaurone
sc-228654N-[4- (3,3,4,4,5,5,6,6,6-Nonafluorohexyl) benzyloxycarbonyloxy]succinimide
PC6085-013,3,4,4,5,5,6,6,6-Nonafluorohexan-1-ol
PC1067362- (3,3,4,4,5,5,6,6,6-Nonafluorohexoxymethyl) oxirane
PC6085Y1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane

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